Theoretical study of transition metal-doped β12 borophene as a new single-atom catalyst for carbon dioxide electroreduction

Author:

Huang Hongjie12,Chen Mingyao2,Zhang Rongxin2,Ding Yuxuan2,Huang Hong2,Shen Zhangfeng2,Jiang Lingchang2ORCID,Ge Zhigang2,Jiang Hongtao1,Xu Minhong3,Wang Yangang2ORCID,Cao Yongyong2ORCID

Affiliation:

1. Institute of Industrial Catalysis, College of Chemical Engineering, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, Zhejiang University of Technology, Hangzhou 310032, P. R. China

2. College of Biological, Chemical Science and Engineering, Jiaxing University, Jiaxing 314001, Zhejiang, P. R. China

3. Department of Materials Engineering, Huzhou University, Huzhou 313000, Zhejiang, P. R. China

Abstract

Among the 19 catalysts, Sc@β12-BM and Y@β12-BM were screened and easily reduced to C1 products (CH4 and CH3OH) and C2 products (CH3CH2OH).

Funder

National Natural Science Foundation of China

Natural Science Foundation of Zhejiang Province

Jiaxing University

Publisher

Royal Society of Chemistry (RSC)

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